N,N-bis(2-cyanoethyl)propanamide

C9H13N3O — CID 4629400

IUPACN,N-bis(2-cyanoethyl)propanamide
SMILESCCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C9H13N3O/c1-2-9(13)12(7-3-5-10)8-4-6-11/h2-4,7-8H2,1H3
InChIKeyWZXIGTDTULEXRS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds5

About N,N-bis(2-cyanoethyl)propanamide

N,N-bis(2-cyanoethyl)propanamide (PubChem CID 4629400) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)propanamide
PubChem CID4629400
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN,N-bis(2-cyanoethyl)propanamide
SMILESCCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C9H13N3O/c1-2-9(13)12(7-3-5-10)8-4-6-11/h2-4,7-8H2,1H3
InChIKeyWZXIGTDTULEXRS-UHFFFAOYSA-N
XLogP1.05
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethylpropionamide
CID 66191
2-cyano-N,N-diethylacetamide
CID 3854515
Propanamide, N,N-dipropyl-
CID 70687
3-(4-Ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345029
2-Cyano-N,N-dimethylacetamide
CID 251143
N-(cyanomethyl)-N-methylacetamide
CID 539036
Propanoic acid, 1-(2-cyanoethyl)-2,2-dimethylhydrazide
CID 3024663
3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345031
N-(2-cyanoethyl)-N-methylacetamide
CID 1988455
2,2-Dimethyl-3-oxo-3-(pyrrolidin-1-yl)propanenitrile
CID 26365911
N-Ethyl-N-methylpropionamide
CID 18387020
N-(2-cyanoethyl)-N-(propan-2-yl)acetamide
CID 61586143

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)propanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)propanamide (CID 4629400) is N,N-bis(2-cyanoethyl)propanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)propanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)propanamide is CCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)propanamide?
The InChIKey is WZXIGTDTULEXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-9(13)12(7-3-5-10)8-4-6-11/h2-4,7-8H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)propanamide?
N,N-bis(2-cyanoethyl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)propanamide is sourced from PubChem (CID 4629400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).